P113-0072 Screening compound: N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

P113-0072 Screening compound: N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
P113-0072 Screening compound: N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P113-0072
N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P113-0072

Molecular Formula

C13H22N4OS (C13 H22 N4 OS)

Compound Name

N-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-4-carboxamide

IUPAC name

N-tert-butyl-2-(4-methylpiperazin-1-yl)-13-thiazole-4-carboxamide

SMILES

CC(C)(C)NC(c1csc(N2CCN(C)CC2)n1)=O

InChI

InChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-9-19-12(14-10)17-7-5-16(4)6-8-17/h9H,5-8H2,1-4H3,(H,15,18)

InChI Key

SUQFJWFLKSHLGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

1.379

Water Solubility, LogSw

-2.66

Polar Surface Area

40.497

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

P113-0072 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P113-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P113-0072?
Check Price and Availability of P113-0072, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P113-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P113-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P113-0072
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P113-0072 available by request